2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione

C23H20N2O3 — CID 1361490

IUPAC2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C23H20N2O3/c26-16-9-7-15(8-10-16)25-22(27)18-6-4-5-17-20(24-13-2-1-3-14-24)12-11-19(21(17)18)23(25)28/h4-12,26H,1-3,13-14H2
InChIKeyNWNOMURKMSRBJA-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione

2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 1361490) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID1361490
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C23H20N2O3/c26-16-9-7-15(8-10-16)25-22(27)18-6-4-5-17-20(24-13-2-1-3-14-24)12-11-19(21(17)18)23(25)28/h4-12,26H,1-3,13-14H2
InChIKeyNWNOMURKMSRBJA-UHFFFAOYSA-N
XLogP4.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione (CID 1361490) is 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is NWNOMURKMSRBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-16-9-7-15(8-10-16)25-22(27)18-6-4-5-17-20(24-13-2-1-3-14-24)12-11-19(21(17)18)23(25)28/h4-12,26H,1-3,13-14H2.
What are the key properties of 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 372.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1361490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).